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Information card for entry 1507863
Preview
| Coordinates | 1507863.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H17 Cl N2 O |
|---|---|
| Calculated formula | C24 H17 Cl N2 O |
| SMILES | c1(ccc(cc1)C(=O)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)Cl |
| Title of publication | Metal-free sp3 C-H bond dual-(het)arylation: I2-promoted domino process to construct 2,2-bisindolyl-1-arylethanones. |
| Authors of publication | Zhu, Yan-ping; Liu, Mei-cai; Jia, Feng-cheng; Yuan, Jing-jing; Gao, Qing-he; Lian, Mi; Wu, An-xin |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3392 - 3395 |
| a | 10.7869 ± 0.001 Å |
| b | 12.4394 ± 0.0011 Å |
| c | 14.7593 ± 0.0014 Å |
| α | 90° |
| β | 103.442 ± 0.002° |
| γ | 90° |
| Cell volume | 1926.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507863.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507863.cif |
| 113483 | 2014-05-13 | cif/ Updating files of 1507862, 1507863 Original log message: Adding full bibliography for 1507862--1507863.cif. |
1507863.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507863.cif |
| 62349 | 2012-07-07 | cif/ Adding structures of 1507863 via cif-deposit CGI script. |
1507863.cif |
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